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157692-36-9 | 1,4-Benzodioxin-2-methanol, 7-chloro-2,3-dihydro-5-nitro-
CAS No: 157692-36-9 Catalog No: AG001PMB MDL No:
Product Description
Catalog Number:
AG001PMB
Chemical Name:
1,4-Benzodioxin-2-methanol, 7-chloro-2,3-dihydro-5-nitro-
CAS Number:
157692-36-9
Molecular Formula:
C9H8ClNO5
Molecular Weight:
245.6165
IUPAC Name:
(7-chloro-5-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)methanol
InChI:
InChI=1S/C9H8ClNO5/c10-5-1-7(11(13)14)9-8(2-5)16-6(3-12)4-15-9/h1-2,6,12H,3-4H2
InChI Key:
MGLATQBXHTZVGI-UHFFFAOYSA-N
SMILES:
OCC1COc2c(O1)cc(cc2[N+](=O)[O-])Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.615g/mol
Monoisotopic Mass:
245.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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